(2,3,4,5,6-pentamethylphenyl)methyl 4-(bromomethyl)benzoate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(bromomethyl)benzoate Openeye Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(bromomethyl)benzoate CAS Name: 4-(bromomethyl)benzoic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(bromomethyl)benzoate Traditional Name: 4-(bromomethyl)benzoic acid (2,3,4,5,6-pentamethylbenzyl) ester Formula: C20H23BrO2 MolecularWeight: 375.29942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)COC(=O)C2=CC=C(C=C2)CBr)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)COC(=O)C2=CC=C(C=C2)CBr)C)C

InChI

InChI=1S/C20H23BrO2/c1-12-13(2)15(4)19(16(5)14(12)3)11-23-20(22)18-8-6-17(10-21)7-9-18/h6-9H,10-11H2,1-5H3